3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine

C10H19NS — CID 107166934

IUPAC3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine
SMILESCC(C)=CCNCC1CCSC1
InChIInChI=1S/C10H19NS/c1-9(2)3-5-11-7-10-4-6-12-8-10/h3,10-11H,4-8H2,1-2H3
InChIKeyXICNBRHHNVNOBT-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.30
Rot. Bonds4

About 3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine

3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine (PubChem CID 107166934) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine
PubChem CID107166934
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine
SMILESCC(C)=CCNCC1CCSC1
InChIInChI=1S/C10H19NS/c1-9(2)3-5-11-7-10-4-6-12-8-10/h3,10-11H,4-8H2,1-2H3
InChIKeyXICNBRHHNVNOBT-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylsulfanylethyl)-3-methylbut-2-en-1-amine
CID 60061027
(7Z)-7-methyl-2,3,4,5,6,9-hexahydro-1,5-thiazonine
CID 169804307
2-(2-methylpropylsulfanyl)-N-prop-2-enylpropan-1-amine
CID 62577354
2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine
CID 63966724
2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine
CID 80585467
2-methyl-N-[(2-methylthiolan-2-yl)methyl]prop-2-en-1-amine
CID 80723187
N-[(2-methylthiolan-2-yl)methyl]prop-2-en-1-amine
CID 80723238
2-(2-methylpropylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 103068140
N-ethyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
CID 103068145
2-(tert-butylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 103068168
2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine
CID 103068173
N-propyl-2-(propylsulfanylmethyl)prop-2-en-1-amine
CID 103068175

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine (CID 107166934) is 3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine is CC(C)=CCNCC1CCSC1.
What is the InChIKey of 3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine?
The InChIKey is XICNBRHHNVNOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9(2)3-5-11-7-10-4-6-12-8-10/h3,10-11H,4-8H2,1-2H3.
What are the key properties of 3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine?
3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(thiolan-3-ylmethyl)but-2-en-1-amine is sourced from PubChem (CID 107166934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).